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{
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{
"id": "mp-18196",
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"structure_string": "Ba4 Tm8 Te16\n1.0\n4.450430 0.000000 0.000000\n0.000000 13.745303 0.000000\n0.000000 0.000000 16.175444\nBa Tm Te\n4 8 16\ndirect\n0.750000 0.261564 0.830040 Ba\n0.250000 0.738436 0.169960 Ba\n0.750000 0.761564 0.669960 Ba\n0.250000 0.238436 0.330040 Ba\n0.250000 0.080905 0.596436 Tm\n0.750000 0.919095 0.403564 Tm\n0.250000 0.580905 0.903564 Tm\n0.750000 0.419095 0.096436 Tm\n0.750000 0.941856 0.890019 Tm\n0.250000 0.058144 0.109981 Tm\n0.750000 0.441856 0.609981 Tm\n0.250000 0.558144 0.390019 Tm\n0.250000 0.472046 0.215694 Te\n0.750000 0.527954 0.784306 Te\n0.250000 0.972046 0.284306 Te\n0.750000 0.027954 0.715694 Te\n0.250000 0.374295 0.971842 Te\n0.750000 0.625705 0.028158 Te\n0.250000 0.874295 0.528158 Te\n0.750000 0.125705 0.471842 Te\n0.250000 0.295704 0.657866 Te\n0.750000 0.704296 0.342134 Te\n0.250000 0.795704 0.842134 Te\n0.750000 0.204296 0.157866 Te\n0.750000 0.410344 0.424633 Te\n0.250000 0.589656 0.575367 Te\n0.750000 0.910344 0.075367 Te\n0.250000 0.089656 0.924633 Te\n",
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{
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"structure_string": "Y8 Os2 Br8\n1.0\n6.316304 6.386875 0.000000\n-6.316304 6.386875 0.000000\n0.000000 0.078971 6.589909\nY Os Br\n8 2 8\ndirect\n0.750431 0.099042 0.989639 Y\n0.099042 0.750431 0.489639 Y\n0.097653 0.248520 0.991467 Y\n0.248520 0.097653 0.491467 Y\n0.902347 0.751480 0.008533 Y\n0.900958 0.249569 0.510361 Y\n0.249569 0.900958 0.010361 Y\n0.751480 0.902347 0.508533 Y\n0.995118 0.004882 0.250000 Os\n0.004882 0.995118 0.750000 Os\n0.580917 0.182814 0.592280 Br\n0.810274 0.585294 0.405235 Br\n0.414706 0.189726 0.094765 Br\n0.189726 0.414706 0.594765 Br\n0.585294 0.810274 0.905235 Br\n0.419083 0.817186 0.407720 Br\n0.182814 0.580917 0.092280 Br\n0.817186 0.419083 0.907720 Br\n",
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"formula_full": "Y8 Os2 Br8",
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{
"id": "mp-1227888",
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"structure_string": "Ca3 Mg9 Al8 Si12 O48\n1.0\n5.837750 8.257659 0.000000\n-5.837750 8.257659 0.000000\n0.000000 8.154219 8.254764\nCa Mg Al Si O\n3 9 8 12 48\ndirect\n0.124011 0.625592 0.376118 Ca\n0.374408 0.875989 0.623882 Ca\n0.375391 0.624609 0.000000 Ca\n0.124404 0.875596 0.500000 Mg\n0.752108 0.750551 0.623963 Mg\n0.249449 0.247892 0.376037 Mg\n0.875042 0.374483 0.125033 Mg\n0.625517 0.124958 0.874967 Mg\n0.625503 0.374497 0.500000 Mg\n0.874451 0.125549 0.000000 Mg\n0.249486 0.250100 0.875447 Mg\n0.749900 0.750514 0.124553 Mg\n0.995185 0.497336 0.252532 Al\n0.997856 0.497723 0.753367 Al\n0.502664 0.004815 0.747468 Al\n0.502277 0.002144 0.246633 Al\n0.505008 0.498880 0.249102 Al\n0.501120 0.494992 0.750898 Al\n0.999870 0.003997 0.248657 Al\n0.996003 0.000130 0.751343 Al\n0.379243 0.879728 0.121792 Si\n0.120272 0.620757 0.878208 Si\n0.629510 0.370490 0.000000 Si\n0.874745 0.125255 0.500000 Si\n0.749857 0.749693 0.375376 Si\n0.250307 0.250143 0.624624 Si\n0.629483 0.129647 0.370582 Si\n0.870353 0.370517 0.629418 Si\n0.375075 0.624925 0.500000 Si\n0.120649 0.879351 0.000000 Si\n0.249146 0.248692 0.126135 Si\n0.751308 0.750854 0.873865 Si\n0.078918 0.479771 0.873524 O\n0.980808 0.579497 0.066324 O\n0.520229 0.921082 0.126476 O\n0.420503 0.019192 0.933676 O\n0.877463 0.312347 0.354323 O\n0.687653 0.122537 0.645677 O\n0.623967 0.184232 0.044960 O\n0.815768 0.376033 0.955040 O\n0.395919 0.204071 0.667577 O\n0.105678 0.298189 0.765281 O\n0.701811 0.894322 0.234719 O\n0.795929 0.604081 0.332423 O\n0.909387 0.508173 0.640171 O\n0.008285 0.408307 0.442391 O\n0.491827 0.090613 0.359829 O\n0.591693 0.991715 0.557609 O\n0.108276 0.691391 0.146547 O\n0.308609 0.891724 0.853453 O\n0.379456 0.814879 0.447550 O\n0.185121 0.620544 0.552450 O\n0.609226 0.802735 0.824862 O\n0.894615 0.700694 0.733678 O\n0.299306 0.105385 0.266322 O\n0.197265 0.390774 0.175138 O\n0.589701 0.507870 0.851793 O\n0.492130 0.410299 0.148207 O\n0.015889 0.079316 0.548685 O\n0.920684 0.984111 0.451315 O\n0.391043 0.692119 0.162229 O\n0.192288 0.891589 0.258804 O\n0.108411 0.807712 0.741196 O\n0.307881 0.608957 0.837771 O\n0.891059 0.802815 0.371963 O\n0.607691 0.697185 0.565872 O\n0.197185 0.108941 0.628037 O\n0.302815 0.392309 0.434128 O\n0.419235 0.483636 0.644867 O\n0.516364 0.580765 0.355132 O\n0.981213 0.921345 0.951293 O\n0.078655 0.018787 0.048707 O\n0.624352 0.316137 0.331302 O\n0.816213 0.123639 0.230457 O\n0.876361 0.183787 0.769543 O\n0.683863 0.375648 0.668698 O\n0.104136 0.204562 0.128052 O\n0.395071 0.294992 0.937991 O\n0.795438 0.895864 0.871948 O\n0.705008 0.604929 0.062009 O\n",
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"formula_full": "Ca3 Mg9 Al8 Si12 O48",
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"spacegroup": 5
},
{
"id": "mp-8922",
"created_at": "2022-09-04T14:40:35.751557Z",
"structure_string": "Cd1 Sb2 O6\n1.0\n2.663236 -4.612860 0.000000\n2.663236 4.612860 0.000000\n0.000000 0.000000 4.925318\nCd Sb O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.500000 Sb\n0.666667 0.333333 0.500000 Sb\n0.366596 0.366596 0.723282 O\n0.633404 0.000000 0.723282 O\n0.000000 0.633404 0.723282 O\n0.366596 0.000000 0.276718 O\n0.000000 0.366596 0.276718 O\n0.633404 0.633404 0.276718 O\n",
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{
"id": "mp-1223302",
"created_at": "2022-09-04T14:40:35.758802Z",
"structure_string": "Li7 Ta24 O64\n1.0\n7.770924 0.000000 0.000000\n0.000000 8.998841 0.000000\n0.000000 0.057950 16.981485\nLi Ta O\n7 24 64\ndirect\n0.500000 0.914799 0.592494 Li\n0.500000 0.911163 0.908036 Li\n0.000000 0.088113 0.408106 Li\n0.000000 0.088959 0.091756 Li\n0.500000 0.323338 0.250648 Li\n0.000000 0.679868 0.750908 Li\n0.500000 0.525560 0.493386 Li\n0.755844 0.392763 0.370066 Ta\n0.752769 0.395779 0.126799 Ta\n0.244156 0.392763 0.370066 Ta\n0.247231 0.395779 0.126799 Ta\n0.748168 0.606738 0.630056 Ta\n0.747260 0.604441 0.873258 Ta\n0.251832 0.606738 0.630056 Ta\n0.252740 0.604441 0.873258 Ta\n0.751185 0.052013 0.249536 Ta\n0.248815 0.052013 0.249536 Ta\n0.748480 0.948010 0.750205 Ta\n0.251520 0.948010 0.750205 Ta\n0.747994 0.684316 0.251072 Ta\n0.252006 0.684316 0.251072 Ta\n0.751670 0.315324 0.749555 Ta\n0.248330 0.315324 0.749555 Ta\n0.751524 0.813234 0.439874 Ta\n0.750956 0.811028 0.061111 Ta\n0.248476 0.813234 0.439874 Ta\n0.249044 0.811028 0.061111 Ta\n0.749090 0.191532 0.559926 Ta\n0.749051 0.188788 0.939058 Ta\n0.250910 0.191532 0.559926 Ta\n0.250949 0.188788 0.939058 Ta\n0.000000 0.696440 0.250812 O\n0.500000 0.303197 0.749528 O\n0.725950 0.874582 0.325185 O\n0.726640 0.875078 0.176518 O\n0.274050 0.874582 0.325185 O\n0.273360 0.875078 0.176518 O\n0.773489 0.125263 0.674302 O\n0.773686 0.124829 0.823741 O\n0.226511 0.125263 0.674302 O\n0.226314 0.124829 0.823741 O\n0.706550 0.342902 0.480303 O\n0.717434 0.333329 0.020423 O\n0.293450 0.342902 0.480303 O\n0.282566 0.333329 0.020423 O\n0.777395 0.663327 0.520755 O\n0.782459 0.666563 0.979896 O\n0.222605 0.663327 0.520755 O\n0.217541 0.666563 0.979896 O\n0.500000 0.390542 0.358229 O\n0.500000 0.387281 0.143940 O\n0.000000 0.617364 0.643038 O\n0.000000 0.612135 0.856407 O\n0.000000 0.020063 0.250367 O\n0.500000 0.981034 0.750304 O\n0.500000 0.673674 0.250158 O\n0.000000 0.326597 0.749823 O\n0.745745 0.618362 0.369443 O\n0.746318 0.620042 0.132226 O\n0.254255 0.618362 0.369443 O\n0.253682 0.620042 0.132226 O\n0.755629 0.381073 0.631271 O\n0.753782 0.379740 0.868195 O\n0.244371 0.381073 0.631271 O\n0.246218 0.379740 0.868195 O\n0.760804 0.450119 0.250802 O\n0.239196 0.450119 0.250802 O\n0.738273 0.549249 0.749552 O\n0.261727 0.549249 0.749552 O\n0.500000 0.803402 0.456023 O\n0.500000 0.816464 0.045678 O\n0.000000 0.187928 0.540962 O\n0.000000 0.183518 0.954605 O\n0.787112 0.186300 0.338864 O\n0.786813 0.189695 0.163009 O\n0.212888 0.186300 0.338864 O\n0.213187 0.189695 0.163009 O\n0.708885 0.811327 0.662534 O\n0.713996 0.810472 0.837090 O\n0.291115 0.811327 0.662534 O\n0.286004 0.810472 0.837090 O\n0.500000 0.098437 0.250576 O\n0.000000 0.902462 0.748862 O\n0.000000 0.408854 0.389854 O\n0.000000 0.411929 0.113602 O\n0.500000 0.582649 0.606569 O\n0.500000 0.588153 0.886732 O\n0.000000 0.851532 0.427871 O\n0.000000 0.855195 0.073913 O\n0.500000 0.149004 0.572679 O\n0.500000 0.144820 0.926207 O\n0.747063 0.001103 0.499246 O\n0.749988 0.999942 0.000091 O\n0.252937 0.001103 0.499246 O\n0.250012 0.999942 0.000091 O\n",
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{
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